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82768-37-4

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Basic Information
CAS No.: 82768-37-4
Name: Carbapenem-3-carboxylic acid
Molecular Structure:
Molecular Structure of 82768-37-4 (Carbapenem-3-carboxylic acid)
Formula: C7H7NO3
Molecular Weight: 153.137
Synonyms: 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,7-oxo-;Antibiotic TAN 458;
Density: 1.54 g/cm3
Boiling Point: 425.2 °C at 760 mmHg
Flash Point: 210.9 °C
PSA: 57.61000
LogP: -0.10260
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Specification

The CAS registry number of Carbapenem-3-carboxylic acid is 82768-37-4. In addition, the molecular formula is C7H7NO3 and the molecular weight is 153.14. The IUPAC name is 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Carbapenem-3-carboxylic acid are: (1)ACD/LogP: -2.19; (2)ACD/LogD (pH 5.5): -3.32; (3)ACD/LogD (pH 7.4): -5.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 35.67 cm3; (14)Molar Volume: 99.3 cm3; (15)Polarizability: 14.14 ×10-24cm3; (16)Surface Tension: 69.5 dyne/cm; (17)Density: 1.54 g/cm3; (18)Flash Point: 210.9 °C; (19)Enthalpy of Vaporization: 74.56 kJ/mol; (20)Boiling Point: 425.2 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C2=C\CC1N2C(=O)C1
(2)InChI: InChI=1/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)
(3)InChIKey: BSIMZHVOQZIAOY-UHFFFAOYAQ